USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 130:sc= 1.12 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.74 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 165:sc= 0.708 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 140:sc= -0.0414 USER MOD Single : A 1 MET CE :methyl 176:sc= -0.0881 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ -159:sc= 1.25 (180deg=1.21) USER MOD Single : A 2 GLN : amide:sc= -0.243 K(o=-0.24,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.16) USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.209 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 2.04 (180deg=1.89) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0.0771 (180deg=8.46e-05) USER MOD Single : A 31 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.9) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.143 (180deg=-0.543) USER MOD Single : A 40 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.67) USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-0.93) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 59 TYR OH : rot 70:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00226) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.828 -7.559 -4.607 1.00 9.67 N ATOM 2 CA MET A 1 11.639 -7.547 -3.122 1.00 10.38 C ATOM 3 C MET A 1 10.247 -7.978 -2.814 1.00 9.62 C ATOM 4 O MET A 1 9.305 -7.688 -3.589 1.00 9.62 O ATOM 5 CB MET A 1 11.770 -6.075 -2.738 1.00 13.77 C ATOM 6 CG MET A 1 11.597 -5.775 -1.201 1.00 16.29 C ATOM 7 SD MET A 1 12.282 -4.222 -0.520 1.00 17.17 S ATOM 8 CE MET A 1 10.814 -3.268 -0.981 1.00 16.11 C ATOM 0 H1 MET A 1 12.843 -7.614 -4.827 1.00 9.67 H new ATOM 0 H2 MET A 1 11.341 -8.383 -5.012 1.00 9.67 H new ATOM 0 H3 MET A 1 11.432 -6.688 -5.014 1.00 9.67 H new ATOM 0 HA MET A 1 12.343 -8.197 -2.602 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.749 -5.717 -3.056 1.00 13.77 H new ATOM 0 HB3 MET A 1 11.026 -5.502 -3.292 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.530 -5.789 -0.981 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.046 -6.602 -0.651 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.914 -2.246 -0.615 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.713 -3.257 -2.066 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.929 -3.726 -0.539 1.00 16.11 H new ATOM 20 N GLN A 2 10.086 -8.700 -1.680 1.00 9.27 N ATOM 21 CA GLN A 2 8.811 -9.118 -1.149 1.00 9.07 C ATOM 22 C GLN A 2 8.390 -8.149 -0.065 1.00 8.72 C ATOM 23 O GLN A 2 9.179 -7.797 0.809 1.00 8.22 O ATOM 24 CB GLN A 2 8.981 -10.471 -0.424 1.00 14.46 C ATOM 25 CG GLN A 2 9.358 -11.552 -1.517 1.00 17.01 C ATOM 26 CD GLN A 2 8.429 -11.564 -2.743 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.876 -11.133 -3.801 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.200 -12.154 -2.582 1.00 19.49 N ATOM 0 H GLN A 2 10.875 -9.005 -1.110 1.00 9.27 H new ATOM 0 HA GLN A 2 8.094 -9.172 -1.968 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.761 -10.404 0.334 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.061 -10.749 0.089 1.00 14.46 H new ATOM 0 HG2 GLN A 2 10.380 -11.372 -1.852 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.343 -12.539 -1.055 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.910 -12.484 -1.662 1.00 19.49 H new ATOM 0 HE22 GLN A 2 6.577 -12.262 -3.383 1.00 19.49 H new ATOM 37 N ILE A 3 7.097 -7.801 -0.010 1.00 5.87 N ATOM 38 CA ILE A 3 6.497 -7.059 1.068 1.00 5.07 C ATOM 39 C ILE A 3 5.209 -7.735 1.427 1.00 4.01 C ATOM 40 O ILE A 3 4.642 -8.526 0.697 1.00 4.61 O ATOM 41 CB ILE A 3 6.220 -5.577 0.818 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.356 -5.314 -0.490 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.636 -4.936 0.932 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.926 -3.814 -0.559 1.00 10.83 C ATOM 0 H ILE A 3 6.433 -8.044 -0.745 1.00 5.87 H new ATOM 0 HA ILE A 3 7.238 -7.063 1.867 1.00 5.07 H new ATOM 0 HB ILE A 3 5.553 -5.097 1.534 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.935 -5.575 -1.376 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.473 -5.953 -0.486 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.563 -3.861 0.769 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.042 -5.126 1.925 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.295 -5.373 0.181 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.335 -3.646 -1.459 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.329 -3.566 0.319 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.814 -3.182 -0.585 1.00 10.83 H new ATOM 56 N PHE A 4 4.702 -7.372 2.601 1.00 4.55 N ATOM 57 CA PHE A 4 3.399 -7.751 3.199 1.00 4.68 C ATOM 58 C PHE A 4 2.457 -6.598 3.411 1.00 5.30 C ATOM 59 O PHE A 4 2.851 -5.484 3.734 1.00 5.58 O ATOM 60 CB PHE A 4 3.512 -8.474 4.585 1.00 4.83 C ATOM 61 CG PHE A 4 4.266 -9.774 4.521 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.249 -10.688 3.489 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.126 -10.007 5.603 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.150 -11.822 3.456 1.00 9.10 C ATOM 65 CE2 PHE A 4 5.965 -11.089 5.629 1.00 10.61 C ATOM 66 CZ PHE A 4 5.981 -12.006 4.579 1.00 8.90 C ATOM 0 H PHE A 4 5.225 -6.753 3.221 1.00 4.55 H new ATOM 0 HA PHE A 4 3.005 -8.432 2.444 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.007 -7.810 5.294 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.510 -8.662 4.971 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.544 -10.555 2.682 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.127 -9.318 6.435 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.183 -12.494 2.611 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.623 -11.234 6.473 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.635 -12.864 4.627 1.00 8.90 H new ATOM 76 N VAL A 5 1.158 -6.852 3.143 1.00 4.44 N ATOM 77 CA VAL A 5 0.138 -5.960 3.478 1.00 3.87 C ATOM 78 C VAL A 5 -0.937 -6.659 4.278 1.00 4.93 C ATOM 79 O VAL A 5 -1.621 -7.592 3.807 1.00 6.84 O ATOM 80 CB VAL A 5 -0.400 -5.339 2.233 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.339 -4.186 2.708 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.741 -4.741 1.399 1.00 9.13 C ATOM 0 H VAL A 5 0.833 -7.702 2.683 1.00 4.44 H new ATOM 0 HA VAL A 5 0.534 -5.165 4.110 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.919 -6.074 1.618 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.769 -3.686 1.840 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.139 -4.598 3.323 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.765 -3.467 3.293 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.333 -4.291 0.494 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.257 -3.978 1.982 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.445 -5.528 1.128 1.00 9.13 H new ATOM 92 N LYS A 6 -1.186 -6.127 5.565 1.00 6.04 N ATOM 93 CA LYS A 6 -2.287 -6.560 6.400 1.00 6.12 C ATOM 94 C LYS A 6 -3.417 -5.593 6.469 1.00 6.57 C ATOM 95 O LYS A 6 -3.286 -4.371 6.299 1.00 5.76 O ATOM 96 CB LYS A 6 -1.885 -6.988 7.811 1.00 7.45 C ATOM 97 CG LYS A 6 -0.842 -8.158 7.855 1.00 11.12 C ATOM 98 CD LYS A 6 -0.386 -8.338 9.317 1.00 14.54 C ATOM 99 CE LYS A 6 0.821 -9.274 9.297 1.00 18.84 C ATOM 100 NZ LYS A 6 0.436 -10.694 8.994 1.00 20.55 N ATOM 0 H LYS A 6 -0.608 -5.403 5.992 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.639 -7.449 5.877 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.471 -6.127 8.336 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.779 -7.293 8.355 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.287 -9.079 7.479 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.011 -7.932 7.215 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.122 -7.378 9.759 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.189 -8.758 9.923 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.535 -8.926 8.551 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.325 -9.235 10.263 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.286 -11.238 8.741 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.010 -11.119 9.832 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.234 -10.710 8.199 1.00 20.55 H new ATOM 114 N THR A 7 -4.609 -6.118 6.731 1.00 7.41 N ATOM 115 CA THR A 7 -5.911 -5.398 6.618 1.00 7.48 C ATOM 116 C THR A 7 -6.598 -5.381 7.903 1.00 8.75 C ATOM 117 O THR A 7 -6.152 -6.076 8.831 1.00 8.58 O ATOM 118 CB THR A 7 -6.892 -6.027 5.532 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.494 -7.237 5.996 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.145 -6.394 4.256 1.00 9.17 C ATOM 0 H THR A 7 -4.719 -7.084 7.038 1.00 7.41 H new ATOM 0 HA THR A 7 -5.660 -4.387 6.296 1.00 7.48 H new ATOM 0 HB THR A 7 -7.647 -5.263 5.346 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.419 -7.286 5.676 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.843 -6.821 3.536 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.687 -5.500 3.832 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.369 -7.124 4.486 1.00 9.17 H new ATOM 128 N LEU A 8 -7.647 -4.600 8.094 1.00 9.84 N ATOM 129 CA LEU A 8 -8.523 -4.619 9.244 1.00 14.15 C ATOM 130 C LEU A 8 -9.693 -5.584 8.964 1.00 17.37 C ATOM 131 O LEU A 8 -10.507 -5.933 9.794 1.00 17.01 O ATOM 132 CB LEU A 8 -9.039 -3.174 9.700 1.00 16.63 C ATOM 133 CG LEU A 8 -7.896 -2.228 10.059 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.358 -0.752 10.340 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.067 -2.725 11.230 1.00 18.59 C ATOM 0 H LEU A 8 -7.923 -3.896 7.409 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.940 -4.975 10.093 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.631 -2.734 8.898 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.699 -3.283 10.560 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.274 -2.218 9.164 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.491 -0.140 10.588 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.845 -0.348 9.453 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.059 -0.743 11.175 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.270 -2.012 11.440 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.703 -2.827 12.109 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.632 -3.693 10.983 1.00 18.59 H new ATOM 147 N THR A 9 -9.896 -5.935 7.709 1.00 18.33 N ATOM 148 CA THR A 9 -10.934 -6.828 7.186 1.00 19.24 C ATOM 149 C THR A 9 -10.566 -8.286 7.379 1.00 19.48 C ATOM 150 O THR A 9 -11.432 -9.196 7.347 1.00 23.14 O ATOM 151 CB THR A 9 -11.147 -6.605 5.668 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.970 -6.842 4.890 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.502 -5.150 5.293 1.00 19.70 C ATOM 0 H THR A 9 -9.297 -5.580 6.964 1.00 18.33 H new ATOM 0 HA THR A 9 -11.843 -6.595 7.740 1.00 19.24 H new ATOM 0 HB THR A 9 -11.955 -7.305 5.454 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.167 -6.687 3.943 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.635 -5.075 4.214 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.426 -4.860 5.794 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.696 -4.487 5.606 1.00 19.70 H new ATOM 161 N GLY A 10 -9.246 -8.588 7.651 1.00 19.43 N ATOM 162 CA GLY A 10 -8.695 -9.816 8.173 1.00 18.74 C ATOM 163 C GLY A 10 -8.056 -10.601 7.116 1.00 17.62 C ATOM 164 O GLY A 10 -8.605 -11.627 6.596 1.00 19.74 O ATOM 0 H GLY A 10 -8.514 -7.898 7.484 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.967 -9.589 8.952 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.486 -10.404 8.638 1.00 18.74 H new ATOM 168 N LYS A 11 -6.820 -10.246 6.704 1.00 13.56 N ATOM 169 CA LYS A 11 -6.116 -10.792 5.567 1.00 11.91 C ATOM 170 C LYS A 11 -4.668 -10.345 5.595 1.00 10.18 C ATOM 171 O LYS A 11 -4.376 -9.264 6.112 1.00 9.10 O ATOM 172 CB LYS A 11 -6.765 -10.278 4.290 1.00 13.43 C ATOM 173 CG LYS A 11 -6.308 -11.069 3.024 1.00 16.69 C ATOM 174 CD LYS A 11 -7.332 -10.895 1.854 1.00 17.92 C ATOM 175 CE LYS A 11 -7.402 -12.155 0.979 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.682 -12.247 0.333 1.00 21.93 N ATOM 0 H LYS A 11 -6.276 -9.535 7.192 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.161 -11.880 5.603 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.849 -10.346 4.385 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.522 -9.223 4.162 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.326 -10.719 2.707 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.206 -12.126 3.269 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.319 -10.678 2.262 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.045 -10.040 1.241 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.611 -12.129 0.230 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.232 -13.041 1.592 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.684 -13.057 -0.320 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.424 -12.378 1.050 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.866 -11.373 -0.199 1.00 21.93 H new ATOM 190 N THR A 12 -3.717 -11.166 5.075 1.00 9.63 N ATOM 191 CA THR A 12 -2.330 -10.872 4.744 1.00 9.85 C ATOM 192 C THR A 12 -2.168 -11.222 3.285 1.00 11.66 C ATOM 193 O THR A 12 -2.591 -12.274 2.820 1.00 12.33 O ATOM 194 CB THR A 12 -1.297 -11.513 5.604 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.526 -11.275 6.918 1.00 10.91 O ATOM 196 CG2 THR A 12 0.148 -11.022 5.267 1.00 9.63 C ATOM 0 H THR A 12 -3.942 -12.138 4.864 1.00 9.63 H new ATOM 0 HA THR A 12 -2.145 -9.816 4.942 1.00 9.85 H new ATOM 0 HB THR A 12 -1.369 -12.581 5.399 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.339 -12.086 7.435 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.863 -11.519 5.922 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.380 -11.260 4.229 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.210 -9.944 5.415 1.00 9.63 H new ATOM 204 N ILE A 13 -1.542 -10.328 2.517 1.00 10.42 N ATOM 205 CA ILE A 13 -1.241 -10.576 1.113 1.00 11.84 C ATOM 206 C ILE A 13 0.244 -10.178 0.947 1.00 10.55 C ATOM 207 O ILE A 13 0.795 -9.290 1.589 1.00 11.92 O ATOM 208 CB ILE A 13 -2.139 -9.874 0.157 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.156 -8.358 0.417 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.567 -10.546 0.218 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.059 -7.473 -0.415 1.00 16.46 C ATOM 0 H ILE A 13 -1.232 -9.416 2.853 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.416 -11.623 0.864 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.766 -9.980 -0.862 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.424 -8.208 1.463 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.136 -7.993 0.294 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.237 -10.041 -0.478 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.486 -11.598 -0.055 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.965 -10.463 1.229 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.945 -6.436 -0.098 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.788 -7.563 -1.467 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.096 -7.781 -0.280 1.00 16.46 H new ATOM 223 N THR A 14 0.896 -10.899 -0.015 1.00 9.39 N ATOM 224 CA THR A 14 2.340 -10.777 -0.177 1.00 9.63 C ATOM 225 C THR A 14 2.516 -10.213 -1.514 1.00 11.20 C ATOM 226 O THR A 14 1.953 -10.718 -2.488 1.00 11.63 O ATOM 227 CB THR A 14 3.058 -12.120 -0.104 1.00 10.38 C ATOM 228 OG1 THR A 14 2.737 -12.851 1.135 1.00 16.30 O ATOM 229 CG2 THR A 14 4.597 -11.938 -0.061 1.00 11.66 C ATOM 0 H THR A 14 0.443 -11.546 -0.661 1.00 9.39 H new ATOM 0 HA THR A 14 2.761 -10.166 0.621 1.00 9.63 H new ATOM 0 HB THR A 14 2.730 -12.663 -0.990 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.274 -12.495 1.873 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.078 -12.915 -0.009 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.927 -11.418 -0.960 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.870 -11.353 0.817 1.00 11.66 H new ATOM 237 N LEU A 15 3.269 -9.131 -1.666 1.00 8.29 N ATOM 238 CA LEU A 15 3.446 -8.542 -2.991 1.00 9.03 C ATOM 239 C LEU A 15 4.905 -8.571 -3.445 1.00 8.59 C ATOM 240 O LEU A 15 5.774 -8.417 -2.610 1.00 7.79 O ATOM 241 CB LEU A 15 2.930 -7.109 -3.086 1.00 11.08 C ATOM 242 CG LEU A 15 1.491 -6.732 -2.620 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.377 -5.255 -2.734 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.432 -7.540 -3.403 1.00 15.27 C ATOM 0 H LEU A 15 3.757 -8.651 -0.910 1.00 8.29 H new ATOM 0 HA LEU A 15 2.847 -9.167 -3.653 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.621 -6.485 -2.519 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.014 -6.810 -4.131 1.00 11.08 H new ATOM 0 HG LEU A 15 1.301 -7.002 -1.581 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.382 -4.941 -2.417 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.126 -4.782 -2.099 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.539 -4.956 -3.770 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.565 -7.261 -3.061 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.524 -7.325 -4.468 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.588 -8.605 -3.233 1.00 15.27 H new ATOM 256 N GLU A 16 5.137 -8.695 -4.761 1.00 11.04 N ATOM 257 CA GLU A 16 6.391 -8.562 -5.418 1.00 11.50 C ATOM 258 C GLU A 16 6.480 -7.161 -5.957 1.00 10.13 C ATOM 259 O GLU A 16 5.778 -6.784 -6.856 1.00 9.83 O ATOM 260 CB GLU A 16 6.531 -9.507 -6.637 1.00 17.22 C ATOM 261 CG GLU A 16 6.327 -11.002 -6.413 1.00 23.33 C ATOM 262 CD GLU A 16 6.254 -11.702 -7.682 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.244 -11.626 -8.507 1.00 28.86 O ATOM 264 OE2 GLU A 16 5.294 -12.478 -7.927 1.00 28.90 O ATOM 0 H GLU A 16 4.383 -8.905 -5.415 1.00 11.04 H new ATOM 0 HA GLU A 16 7.168 -8.804 -4.693 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.817 -9.183 -7.394 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.527 -9.365 -7.056 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.148 -11.402 -5.818 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.411 -11.169 -5.846 1.00 23.33 H new ATOM 271 N VAL A 17 7.385 -6.448 -5.385 1.00 8.99 N ATOM 272 CA VAL A 17 7.754 -5.076 -5.756 1.00 8.85 C ATOM 273 C VAL A 17 9.249 -4.910 -6.018 1.00 8.04 C ATOM 274 O VAL A 17 10.076 -5.788 -5.728 1.00 8.99 O ATOM 275 CB VAL A 17 7.391 -4.039 -4.651 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.864 -4.242 -4.421 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.115 -4.323 -3.288 1.00 10.54 C ATOM 0 H VAL A 17 7.933 -6.801 -4.600 1.00 8.99 H new ATOM 0 HA VAL A 17 7.184 -4.891 -6.666 1.00 8.85 H new ATOM 0 HB VAL A 17 7.684 -3.038 -4.966 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.516 -3.550 -3.654 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.328 -4.053 -5.351 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.678 -5.266 -4.097 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.824 -3.569 -2.557 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.831 -5.310 -2.924 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.194 -4.288 -3.435 1.00 10.54 H new ATOM 287 N GLU A 18 9.615 -3.750 -6.600 1.00 7.29 N ATOM 288 CA GLU A 18 10.957 -3.336 -6.692 1.00 7.08 C ATOM 289 C GLU A 18 11.014 -2.046 -5.869 1.00 6.45 C ATOM 290 O GLU A 18 9.992 -1.430 -5.633 1.00 5.28 O ATOM 291 CB GLU A 18 11.475 -3.036 -8.115 1.00 10.28 C ATOM 292 CG GLU A 18 11.459 -4.231 -9.091 1.00 12.65 C ATOM 293 CD GLU A 18 12.479 -5.356 -8.688 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.619 -5.023 -8.322 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.027 -6.519 -8.831 1.00 14.33 O ATOM 0 H GLU A 18 8.951 -3.094 -7.012 1.00 7.29 H new ATOM 0 HA GLU A 18 11.593 -4.149 -6.343 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.873 -2.233 -8.541 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.497 -2.663 -8.040 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.454 -4.653 -9.126 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.692 -3.878 -10.095 1.00 12.65 H new ATOM 302 N PRO A 19 12.152 -1.605 -5.389 1.00 7.24 N ATOM 303 CA PRO A 19 12.117 -0.432 -4.453 1.00 7.07 C ATOM 304 C PRO A 19 11.843 0.854 -5.178 1.00 6.65 C ATOM 305 O PRO A 19 11.423 1.776 -4.495 1.00 6.37 O ATOM 306 CB PRO A 19 13.451 -0.462 -3.665 1.00 7.61 C ATOM 307 CG PRO A 19 14.377 -1.187 -4.649 1.00 8.16 C ATOM 308 CD PRO A 19 13.432 -2.218 -5.367 1.00 7.49 C ATOM 0 HA PRO A 19 11.289 -0.498 -3.747 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.809 0.540 -3.428 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.357 -0.998 -2.721 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.826 -0.494 -5.360 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.196 -1.688 -4.132 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.781 -2.434 -6.377 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.404 -3.166 -4.830 1.00 7.49 H new ATOM 316 N SER A 20 12.074 0.938 -6.501 1.00 6.80 N ATOM 317 CA SER A 20 11.792 2.141 -7.211 1.00 6.28 C ATOM 318 C SER A 20 10.283 2.280 -7.536 1.00 8.45 C ATOM 319 O SER A 20 9.806 3.273 -8.134 1.00 7.26 O ATOM 320 CB SER A 20 12.581 2.460 -8.510 1.00 8.57 C ATOM 321 OG SER A 20 14.004 2.238 -8.386 1.00 11.13 O ATOM 0 H SER A 20 12.452 0.181 -7.071 1.00 6.80 H new ATOM 0 HA SER A 20 12.148 2.870 -6.483 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.194 1.844 -9.322 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.406 3.500 -8.787 1.00 8.57 H new ATOM 0 HG SER A 20 14.444 2.454 -9.235 1.00 11.13 H new ATOM 327 N ASP A 21 9.415 1.272 -7.230 1.00 7.50 N ATOM 328 CA ASP A 21 7.965 1.301 -7.468 1.00 7.70 C ATOM 329 C ASP A 21 7.338 2.461 -6.589 1.00 7.08 C ATOM 330 O ASP A 21 7.666 2.648 -5.410 1.00 8.11 O ATOM 331 CB ASP A 21 7.242 -0.075 -7.107 1.00 11.00 C ATOM 332 CG ASP A 21 7.553 -1.185 -8.040 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.059 -0.922 -9.194 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.177 -2.365 -7.775 1.00 14.36 O ATOM 0 H ASP A 21 9.726 0.401 -6.801 1.00 7.50 H new ATOM 0 HA ASP A 21 7.809 1.471 -8.533 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.530 -0.371 -6.098 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.164 0.085 -7.096 1.00 11.00 H new ATOM 339 N THR A 22 6.343 3.113 -7.261 1.00 5.37 N ATOM 340 CA THR A 22 5.506 4.137 -6.704 1.00 6.01 C ATOM 341 C THR A 22 4.335 3.595 -5.864 1.00 8.01 C ATOM 342 O THR A 22 3.896 2.444 -6.002 1.00 8.11 O ATOM 343 CB THR A 22 4.966 5.207 -7.693 1.00 8.92 C ATOM 344 OG1 THR A 22 4.108 4.657 -8.684 1.00 10.22 O ATOM 345 CG2 THR A 22 6.129 5.994 -8.432 1.00 9.65 C ATOM 0 H THR A 22 6.121 2.909 -8.235 1.00 5.37 H new ATOM 0 HA THR A 22 6.217 4.648 -6.055 1.00 6.01 H new ATOM 0 HB THR A 22 4.399 5.896 -7.067 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.795 5.371 -9.278 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.697 6.729 -9.111 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.750 6.502 -7.694 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.740 5.292 -8.999 1.00 9.65 H new ATOM 353 N ILE A 23 3.805 4.399 -4.913 1.00 8.32 N ATOM 354 CA ILE A 23 2.636 4.009 -4.022 1.00 9.92 C ATOM 355 C ILE A 23 1.349 3.879 -4.840 1.00 10.01 C ATOM 356 O ILE A 23 0.551 2.966 -4.555 1.00 8.71 O ATOM 357 CB ILE A 23 2.483 4.965 -2.900 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.780 5.099 -2.014 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.198 4.645 -2.057 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.192 3.882 -1.260 1.00 12.30 C ATOM 0 H ILE A 23 4.159 5.337 -4.725 1.00 8.32 H new ATOM 0 HA ILE A 23 2.846 3.032 -3.587 1.00 9.92 H new ATOM 0 HB ILE A 23 2.344 5.952 -3.342 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.606 5.398 -2.659 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.625 5.908 -1.300 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.111 5.362 -1.241 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.317 4.713 -2.696 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.272 3.637 -1.648 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.095 4.096 -0.689 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.393 3.588 -0.579 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.390 3.070 -1.960 1.00 12.30 H new ATOM 372 N GLU A 24 1.212 4.672 -5.886 1.00 9.54 N ATOM 373 CA GLU A 24 0.136 4.558 -6.839 1.00 11.81 C ATOM 374 C GLU A 24 0.134 3.189 -7.516 1.00 11.14 C ATOM 375 O GLU A 24 -0.908 2.531 -7.541 1.00 10.62 O ATOM 376 CB GLU A 24 0.277 5.730 -7.873 1.00 19.24 C ATOM 377 CG GLU A 24 -0.868 5.854 -8.895 1.00 27.76 C ATOM 378 CD GLU A 24 -0.393 6.860 -9.943 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.603 6.561 -10.666 1.00 36.51 O ATOM 380 OE2 GLU A 24 -0.964 7.959 -10.171 1.00 34.80 O ATOM 0 H GLU A 24 1.863 5.429 -6.097 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.825 4.639 -6.331 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.354 6.668 -7.324 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.213 5.601 -8.416 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.088 4.889 -9.352 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.785 6.196 -8.414 1.00 27.76 H new ATOM 387 N ASN A 25 1.303 2.686 -7.939 1.00 9.43 N ATOM 388 CA ASN A 25 1.493 1.326 -8.455 1.00 10.96 C ATOM 389 C ASN A 25 1.251 0.197 -7.456 1.00 9.68 C ATOM 390 O ASN A 25 0.650 -0.761 -7.843 1.00 9.33 O ATOM 391 CB ASN A 25 2.925 1.176 -9.058 1.00 16.78 C ATOM 392 CG ASN A 25 3.134 -0.003 -10.036 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.129 0.173 -11.262 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.277 -1.271 -9.584 1.00 24.70 N ATOM 0 H ASN A 25 2.165 3.231 -7.931 1.00 9.43 H new ATOM 0 HA ASN A 25 0.721 1.214 -9.216 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.177 2.101 -9.577 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.633 1.069 -8.236 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.376 -2.040 -10.246 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.286 -1.457 -8.581 1.00 24.70 H new ATOM 401 N VAL A 26 1.712 0.318 -6.197 1.00 6.52 N ATOM 402 CA VAL A 26 1.347 -0.678 -5.167 1.00 5.53 C ATOM 403 C VAL A 26 -0.116 -0.884 -4.850 1.00 4.42 C ATOM 404 O VAL A 26 -0.583 -2.013 -4.713 1.00 3.40 O ATOM 405 CB VAL A 26 2.144 -0.357 -3.869 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.829 -1.354 -2.715 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.617 -0.298 -4.084 1.00 8.12 C ATOM 0 H VAL A 26 2.320 1.070 -5.873 1.00 6.52 H new ATOM 0 HA VAL A 26 1.616 -1.635 -5.614 1.00 5.53 H new ATOM 0 HB VAL A 26 1.806 0.637 -3.577 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.411 -1.085 -1.833 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.766 -1.310 -2.476 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.089 -2.366 -3.027 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.114 -0.070 -3.141 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.969 -1.260 -4.457 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.848 0.480 -4.812 1.00 8.12 H new ATOM 417 N LYS A 27 -0.891 0.195 -4.850 1.00 2.64 N ATOM 418 CA LYS A 27 -2.370 0.271 -4.725 1.00 4.14 C ATOM 419 C LYS A 27 -3.090 -0.341 -5.959 1.00 5.58 C ATOM 420 O LYS A 27 -4.137 -0.999 -5.821 1.00 4.11 O ATOM 421 CB LYS A 27 -2.905 1.676 -4.548 1.00 3.97 C ATOM 422 CG LYS A 27 -2.541 2.209 -3.144 1.00 7.45 C ATOM 423 CD LYS A 27 -3.469 3.394 -2.832 1.00 9.02 C ATOM 424 CE LYS A 27 -3.217 4.672 -3.666 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.023 5.815 -3.280 1.00 15.47 N ATOM 0 H LYS A 27 -0.482 1.124 -4.945 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.582 -0.302 -3.822 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.489 2.331 -5.313 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.987 1.681 -4.678 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.659 1.425 -2.396 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.498 2.523 -3.114 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.500 3.077 -2.987 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.368 3.644 -1.776 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.164 4.942 -3.583 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.407 4.448 -4.716 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.944 6.556 -4.005 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.017 5.524 -3.189 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.686 6.185 -2.369 1.00 15.47 H new ATOM 439 N ALA A 28 -2.545 -0.094 -7.163 1.00 6.61 N ATOM 440 CA ALA A 28 -2.900 -0.774 -8.390 1.00 7.74 C ATOM 441 C ALA A 28 -2.675 -2.293 -8.349 1.00 9.17 C ATOM 442 O ALA A 28 -3.478 -3.049 -8.914 1.00 11.45 O ATOM 443 CB ALA A 28 -2.187 -0.216 -9.654 1.00 7.68 C ATOM 0 H ALA A 28 -1.821 0.612 -7.298 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.968 -0.573 -8.467 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.507 -0.779 -10.531 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.446 0.835 -9.784 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.108 -0.312 -9.535 1.00 7.68 H new ATOM 449 N LYS A 29 -1.626 -2.745 -7.619 1.00 8.96 N ATOM 450 CA LYS A 29 -1.275 -4.132 -7.414 1.00 7.90 C ATOM 451 C LYS A 29 -2.237 -4.859 -6.554 1.00 6.92 C ATOM 452 O LYS A 29 -2.666 -5.964 -6.886 1.00 6.87 O ATOM 453 CB LYS A 29 0.141 -4.322 -6.908 1.00 10.28 C ATOM 454 CG LYS A 29 0.751 -5.674 -7.145 1.00 14.94 C ATOM 455 CD LYS A 29 2.291 -5.734 -6.873 1.00 19.69 C ATOM 456 CE LYS A 29 3.293 -5.030 -7.753 1.00 22.63 C ATOM 457 NZ LYS A 29 3.717 -5.764 -8.917 1.00 24.98 N ATOM 0 H LYS A 29 -0.986 -2.107 -7.145 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.329 -4.574 -8.409 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.777 -3.572 -7.378 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.152 -4.124 -5.836 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.251 -6.404 -6.508 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.563 -5.970 -8.177 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.445 -5.358 -5.861 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.567 -6.789 -6.867 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.863 -4.083 -8.079 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.172 -4.792 -7.155 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 3.959 -5.098 -9.678 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.552 -6.338 -8.681 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.947 -6.387 -9.234 1.00 24.98 H new ATOM 471 N ILE A 30 -2.740 -4.141 -5.549 1.00 4.57 N ATOM 472 CA ILE A 30 -3.724 -4.639 -4.617 1.00 5.58 C ATOM 473 C ILE A 30 -5.062 -4.559 -5.351 1.00 7.26 C ATOM 474 O ILE A 30 -5.929 -5.392 -5.075 1.00 9.46 O ATOM 475 CB ILE A 30 -3.725 -3.857 -3.274 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.383 -4.014 -2.647 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.877 -4.411 -2.399 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.393 -3.292 -1.274 1.00 2.00 C ATOM 0 H ILE A 30 -2.461 -3.177 -5.366 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.502 -5.664 -4.319 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.899 -2.789 -3.408 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.147 -5.070 -2.518 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.612 -3.591 -3.291 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.900 -3.878 -1.448 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.826 -4.272 -2.916 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.716 -5.473 -2.216 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.417 -3.397 -0.801 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.613 -2.235 -1.421 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.156 -3.736 -0.635 1.00 2.00 H new ATOM 490 N GLN A 31 -5.331 -3.615 -6.198 1.00 7.06 N ATOM 491 CA GLN A 31 -6.536 -3.600 -7.013 1.00 8.67 C ATOM 492 C GLN A 31 -6.563 -4.792 -7.968 1.00 10.90 C ATOM 493 O GLN A 31 -7.558 -5.488 -8.081 1.00 9.63 O ATOM 494 CB GLN A 31 -6.722 -2.300 -7.838 1.00 9.12 C ATOM 495 CG GLN A 31 -7.814 -2.257 -8.951 1.00 10.76 C ATOM 496 CD GLN A 31 -8.068 -0.796 -9.413 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.993 -0.062 -9.078 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.144 -0.362 -10.330 1.00 14.76 N ATOM 0 H GLN A 31 -4.719 -2.814 -6.355 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.360 -3.657 -6.301 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.936 -1.494 -7.137 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.766 -2.069 -8.307 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.499 -2.863 -9.800 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.741 -2.692 -8.576 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.376 -0.973 -10.608 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.226 0.571 -10.734 1.00 14.76 H new ATOM 507 N ASP A 32 -5.375 -5.039 -8.658 1.00 10.93 N ATOM 508 CA ASP A 32 -5.169 -6.241 -9.506 1.00 14.01 C ATOM 509 C ASP A 32 -5.387 -7.585 -8.730 1.00 14.04 C ATOM 510 O ASP A 32 -6.143 -8.440 -9.144 1.00 13.39 O ATOM 511 CB ASP A 32 -3.806 -6.026 -10.243 1.00 18.01 C ATOM 512 CG ASP A 32 -3.541 -7.142 -11.119 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.013 -8.151 -10.574 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.618 -6.983 -12.377 1.00 26.29 O ATOM 0 H ASP A 32 -4.570 -4.414 -8.628 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.935 -6.356 -10.273 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.835 -5.100 -10.818 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.001 -5.924 -9.515 1.00 18.01 H new ATOM 519 N LYS A 33 -4.868 -7.767 -7.524 1.00 14.22 N ATOM 520 CA LYS A 33 -5.141 -8.909 -6.661 1.00 14.00 C ATOM 521 C LYS A 33 -6.588 -8.974 -6.105 1.00 12.37 C ATOM 522 O LYS A 33 -7.281 -9.961 -6.345 1.00 12.17 O ATOM 523 CB LYS A 33 -3.914 -9.043 -5.674 1.00 18.62 C ATOM 524 CG LYS A 33 -4.059 -10.292 -4.835 1.00 24.00 C ATOM 525 CD LYS A 33 -2.970 -10.486 -3.728 1.00 27.61 C ATOM 526 CE LYS A 33 -1.610 -10.914 -4.298 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.725 -12.138 -5.120 1.00 30.06 N ATOM 0 H LYS A 33 -4.221 -7.099 -7.104 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.185 -9.845 -7.218 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -2.984 -9.082 -6.241 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -3.858 -8.166 -5.029 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -5.039 -10.277 -4.358 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -4.039 -11.158 -5.496 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.850 -9.554 -3.176 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.313 -11.237 -3.016 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.198 -10.106 -4.903 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.911 -11.089 -3.480 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.788 -12.578 -5.220 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.374 -12.806 -4.658 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.093 -11.891 -6.061 1.00 30.06 H new ATOM 541 N GLU A 34 -7.193 -7.924 -5.481 1.00 10.11 N ATOM 542 CA GLU A 34 -8.418 -8.144 -4.624 1.00 10.07 C ATOM 543 C GLU A 34 -9.562 -7.297 -5.116 1.00 9.32 C ATOM 544 O GLU A 34 -10.679 -7.407 -4.600 1.00 11.61 O ATOM 545 CB GLU A 34 -7.982 -7.694 -3.240 1.00 14.77 C ATOM 546 CG GLU A 34 -7.111 -8.673 -2.390 1.00 18.75 C ATOM 547 CD GLU A 34 -7.807 -9.969 -1.988 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.755 -9.927 -1.138 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.361 -11.051 -2.453 1.00 21.95 O ATOM 0 H GLU A 34 -6.879 -6.955 -5.543 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.766 -9.177 -4.642 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.426 -6.763 -3.352 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.879 -7.462 -2.666 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.213 -8.921 -2.955 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.787 -8.157 -1.486 1.00 18.75 H new ATOM 556 N GLY A 35 -9.361 -6.415 -6.159 1.00 7.22 N ATOM 557 CA GLY A 35 -10.425 -5.571 -6.777 1.00 6.29 C ATOM 558 C GLY A 35 -10.944 -4.477 -5.896 1.00 6.93 C ATOM 559 O GLY A 35 -12.161 -4.231 -5.844 1.00 7.41 O ATOM 0 H GLY A 35 -8.446 -6.278 -6.589 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.033 -5.127 -7.692 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.257 -6.213 -7.066 1.00 6.29 H new ATOM 563 N ILE A 36 -10.012 -3.745 -5.179 1.00 5.86 N ATOM 564 CA ILE A 36 -10.373 -2.573 -4.317 1.00 6.07 C ATOM 565 C ILE A 36 -9.773 -1.337 -5.051 1.00 6.36 C ATOM 566 O ILE A 36 -8.600 -1.286 -5.323 1.00 6.18 O ATOM 567 CB ILE A 36 -9.776 -2.602 -2.901 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.620 -4.036 -2.315 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.673 -1.679 -1.928 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.627 -4.182 -1.158 1.00 9.49 C ATOM 0 H ILE A 36 -9.014 -3.953 -5.188 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.455 -2.565 -4.184 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.763 -2.206 -2.971 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.598 -4.377 -1.974 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.312 -4.705 -3.119 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.254 -1.696 -0.922 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.679 -0.655 -2.301 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.693 -2.062 -1.902 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.600 -5.221 -0.830 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.634 -3.881 -1.491 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.939 -3.548 -0.328 1.00 9.49 H new ATOM 582 N PRO A 37 -10.589 -0.357 -5.473 1.00 8.65 N ATOM 583 CA PRO A 37 -10.154 0.936 -5.957 1.00 9.18 C ATOM 584 C PRO A 37 -9.103 1.705 -5.118 1.00 9.85 C ATOM 585 O PRO A 37 -9.249 1.736 -3.916 1.00 8.51 O ATOM 586 CB PRO A 37 -11.545 1.711 -5.959 1.00 11.42 C ATOM 587 CG PRO A 37 -12.615 0.662 -6.292 1.00 9.27 C ATOM 588 CD PRO A 37 -12.046 -0.443 -5.427 1.00 8.33 C ATOM 0 HA PRO A 37 -9.619 0.839 -6.902 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.737 2.170 -4.989 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.543 2.514 -6.696 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.621 0.964 -6.001 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.653 0.405 -7.351 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.400 -0.343 -4.401 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.380 -1.416 -5.786 1.00 8.33 H new ATOM 596 N PRO A 38 -8.091 2.261 -5.747 1.00 8.71 N ATOM 597 CA PRO A 38 -7.000 2.905 -4.980 1.00 9.08 C ATOM 598 C PRO A 38 -7.391 4.141 -4.180 1.00 9.28 C ATOM 599 O PRO A 38 -6.622 4.492 -3.311 1.00 6.50 O ATOM 600 CB PRO A 38 -5.997 3.220 -6.093 1.00 10.31 C ATOM 601 CG PRO A 38 -6.120 2.026 -7.112 1.00 10.81 C ATOM 602 CD PRO A 38 -7.579 1.653 -7.009 1.00 12.00 C ATOM 0 HA PRO A 38 -6.626 2.261 -4.184 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.227 4.172 -6.572 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.984 3.298 -5.699 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.849 2.327 -8.124 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.469 1.194 -6.842 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.135 2.024 -7.870 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.701 0.570 -6.994 1.00 12.00 H new ATOM 610 N ASP A 39 -8.490 4.875 -4.573 1.00 11.20 N ATOM 611 CA ASP A 39 -9.031 5.922 -3.718 1.00 14.96 C ATOM 612 C ASP A 39 -9.665 5.370 -2.482 1.00 13.99 C ATOM 613 O ASP A 39 -9.454 5.931 -1.392 1.00 13.75 O ATOM 614 CB ASP A 39 -10.183 6.653 -4.468 1.00 24.16 C ATOM 615 CG ASP A 39 -9.748 7.366 -5.717 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.765 8.050 -5.691 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.468 7.233 -6.793 1.00 35.55 O ATOM 0 H ASP A 39 -8.985 4.744 -5.455 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.196 6.574 -3.463 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.952 5.925 -4.727 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.642 7.375 -3.792 1.00 24.16 H new ATOM 622 N GLN A 40 -10.323 4.175 -2.620 1.00 11.60 N ATOM 623 CA GLN A 40 -10.968 3.454 -1.500 1.00 10.76 C ATOM 624 C GLN A 40 -9.890 2.924 -0.548 1.00 8.01 C ATOM 625 O GLN A 40 -10.129 3.080 0.675 1.00 8.96 O ATOM 626 CB GLN A 40 -11.838 2.319 -2.001 1.00 11.14 C ATOM 627 CG GLN A 40 -12.790 1.681 -1.010 1.00 14.85 C ATOM 628 CD GLN A 40 -13.666 0.513 -1.551 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.514 -0.598 -1.131 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.634 0.817 -2.425 1.00 18.16 N ATOM 0 H GLN A 40 -10.414 3.695 -3.515 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.615 4.150 -0.966 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.425 2.690 -2.841 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.183 1.539 -2.389 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.208 1.310 -0.166 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.453 2.456 -0.624 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.735 1.774 -2.762 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.271 0.091 -2.754 1.00 18.16 H new ATOM 639 N GLN A 41 -8.752 2.431 -1.038 1.00 6.52 N ATOM 640 CA GLN A 41 -7.530 2.113 -0.286 1.00 3.87 C ATOM 641 C GLN A 41 -6.817 3.303 0.320 1.00 4.79 C ATOM 642 O GLN A 41 -6.569 4.322 -0.342 1.00 6.34 O ATOM 643 CB GLN A 41 -6.543 1.392 -1.233 1.00 4.20 C ATOM 644 CG GLN A 41 -7.092 0.064 -1.852 1.00 3.20 C ATOM 645 CD GLN A 41 -5.970 -0.547 -2.622 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.864 -0.737 -2.103 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.137 -0.760 -3.929 1.00 7.13 N ATOM 0 H GLN A 41 -8.649 2.229 -2.033 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.851 1.493 0.551 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.273 2.071 -2.042 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.628 1.171 -0.684 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.439 -0.613 -1.071 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.944 0.263 -2.502 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.049 -0.604 -4.359 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.353 -1.079 -4.498 1.00 7.13 H new ATOM 656 N ARG A 42 -6.404 3.093 1.604 1.00 5.73 N ATOM 657 CA ARG A 42 -5.471 3.876 2.389 1.00 6.97 C ATOM 658 C ARG A 42 -4.337 3.013 2.799 1.00 7.15 C ATOM 659 O ARG A 42 -4.627 1.988 3.352 1.00 7.33 O ATOM 660 CB ARG A 42 -6.078 4.645 3.576 1.00 13.23 C ATOM 661 CG ARG A 42 -6.887 5.791 2.954 1.00 21.27 C ATOM 662 CD ARG A 42 -7.640 6.645 3.979 1.00 26.14 C ATOM 663 NE ARG A 42 -8.343 7.736 3.234 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.749 8.843 3.827 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.880 8.923 5.123 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.948 9.930 3.093 1.00 36.39 N ATOM 0 H ARG A 42 -6.759 2.300 2.138 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.119 4.677 1.738 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.715 3.997 4.178 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.299 5.028 4.235 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.213 6.432 2.386 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.603 5.375 2.246 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.356 6.037 4.532 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.948 7.065 4.709 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.514 7.620 2.235 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.666 8.115 5.708 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.196 9.793 5.551 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.787 9.902 2.086 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.262 10.794 3.536 1.00 36.39 H new ATOM 680 N LEU A 43 -3.067 3.378 2.595 1.00 4.65 N ATOM 681 CA LEU A 43 -1.917 2.595 2.907 1.00 3.51 C ATOM 682 C LEU A 43 -1.104 3.389 3.931 1.00 5.56 C ATOM 683 O LEU A 43 -0.817 4.570 3.632 1.00 4.19 O ATOM 684 CB LEU A 43 -1.024 2.177 1.703 1.00 3.74 C ATOM 685 CG LEU A 43 -1.594 0.944 0.975 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.632 0.567 -0.254 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.881 -0.362 1.765 1.00 6.41 C ATOM 0 H LEU A 43 -2.825 4.280 2.185 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.274 1.640 3.293 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.944 3.009 1.003 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.016 1.958 2.055 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.589 1.294 0.701 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.030 -0.305 -0.773 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.578 1.408 -0.945 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.366 0.342 0.121 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.277 -1.118 1.087 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.957 -0.726 2.214 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.610 -0.160 2.549 1.00 6.41 H new ATOM 699 N ILE A 44 -0.750 2.778 5.063 1.00 4.58 N ATOM 700 CA ILE A 44 -0.062 3.398 6.180 1.00 5.55 C ATOM 701 C ILE A 44 1.131 2.572 6.569 1.00 5.46 C ATOM 702 O ILE A 44 1.082 1.324 6.635 1.00 6.04 O ATOM 703 CB ILE A 44 -1.123 3.634 7.311 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.168 4.652 6.884 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.447 4.089 8.667 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.454 4.154 6.291 1.00 13.90 C ATOM 0 H ILE A 44 -0.948 1.791 5.226 1.00 4.58 H new ATOM 0 HA ILE A 44 0.358 4.373 5.932 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.616 2.677 7.483 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.417 5.256 7.756 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.704 5.318 6.157 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.216 4.242 9.424 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.246 3.318 9.005 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.096 5.021 8.508 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.091 5.002 6.039 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.241 3.580 5.389 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.965 3.518 7.013 1.00 13.90 H new ATOM 718 N PHE A 45 2.311 3.244 6.747 1.00 6.75 N ATOM 719 CA PHE A 45 3.534 2.626 7.237 1.00 4.70 C ATOM 720 C PHE A 45 4.453 3.632 7.980 1.00 6.34 C ATOM 721 O PHE A 45 4.529 4.784 7.742 1.00 5.45 O ATOM 722 CB PHE A 45 4.233 1.960 6.030 1.00 5.51 C ATOM 723 CG PHE A 45 5.671 1.492 6.279 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.876 0.401 7.114 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.730 2.295 5.868 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.166 0.063 7.543 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.046 1.965 6.242 1.00 6.64 C ATOM 728 CZ PHE A 45 8.242 0.850 7.052 1.00 6.84 C ATOM 0 H PHE A 45 2.415 4.238 6.545 1.00 6.75 H new ATOM 0 HA PHE A 45 3.295 1.872 7.987 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.639 1.102 5.716 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.237 2.666 5.199 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.033 -0.192 7.436 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.543 3.170 5.263 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.336 -0.762 8.219 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.882 2.562 5.909 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.251 0.572 7.318 1.00 6.84 H new ATOM 738 N ALA A 46 5.082 3.092 9.030 1.00 6.53 N ATOM 739 CA ALA A 46 5.826 3.913 9.999 1.00 7.15 C ATOM 740 C ALA A 46 5.052 5.038 10.635 1.00 9.00 C ATOM 741 O ALA A 46 5.675 6.045 11.085 1.00 11.15 O ATOM 742 CB ALA A 46 7.050 4.446 9.323 1.00 8.99 C ATOM 0 H ALA A 46 5.092 2.092 9.232 1.00 6.53 H new ATOM 0 HA ALA A 46 6.070 3.253 10.832 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.616 5.058 10.025 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.669 3.616 8.984 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.757 5.053 8.466 1.00 8.99 H new ATOM 748 N GLY A 47 3.739 4.894 10.788 1.00 9.35 N ATOM 749 CA GLY A 47 2.874 5.940 11.308 1.00 11.68 C ATOM 750 C GLY A 47 2.447 6.966 10.256 1.00 11.14 C ATOM 751 O GLY A 47 1.660 7.849 10.591 1.00 13.93 O ATOM 0 H GLY A 47 3.243 4.035 10.550 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.983 5.482 11.738 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.390 6.456 12.118 1.00 11.68 H new ATOM 755 N LYS A 48 2.890 6.884 8.958 1.00 10.47 N ATOM 756 CA LYS A 48 2.524 7.885 8.004 1.00 8.82 C ATOM 757 C LYS A 48 1.653 7.125 7.043 1.00 7.68 C ATOM 758 O LYS A 48 2.040 6.018 6.544 1.00 6.47 O ATOM 759 CB LYS A 48 3.736 8.398 7.189 1.00 9.74 C ATOM 760 CG LYS A 48 4.819 9.088 8.048 1.00 14.14 C ATOM 761 CD LYS A 48 5.915 9.826 7.219 1.00 16.32 C ATOM 762 CE LYS A 48 7.205 10.322 7.970 1.00 20.04 C ATOM 763 NZ LYS A 48 8.073 11.281 7.175 1.00 23.92 N ATOM 0 H LYS A 48 3.485 6.139 8.595 1.00 10.47 H new ATOM 0 HA LYS A 48 2.071 8.746 8.496 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.186 7.559 6.659 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.383 9.100 6.434 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.338 9.805 8.713 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.298 8.340 8.679 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.232 9.159 6.417 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.450 10.692 6.748 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.904 10.809 8.897 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.804 9.454 8.246 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.899 11.556 7.745 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.394 10.816 6.302 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.522 12.129 6.933 1.00 23.92 H new ATOM 777 N GLN A 49 0.548 7.761 6.553 1.00 8.89 N ATOM 778 CA GLN A 49 -0.150 7.477 5.284 1.00 7.18 C ATOM 779 C GLN A 49 0.635 7.883 4.072 1.00 8.23 C ATOM 780 O GLN A 49 1.329 8.944 4.054 1.00 9.70 O ATOM 781 CB GLN A 49 -1.423 8.289 5.253 1.00 11.67 C ATOM 782 CG GLN A 49 -2.375 7.751 4.155 1.00 15.82 C ATOM 783 CD GLN A 49 -3.720 8.459 4.417 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.408 8.054 5.364 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.087 9.410 3.524 1.00 20.67 N ATOM 0 H GLN A 49 0.106 8.523 7.067 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.315 6.400 5.250 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.915 8.245 6.225 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.190 9.336 5.061 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.997 7.977 3.158 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.479 6.668 4.218 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.450 9.679 2.774 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.001 9.857 3.602 1.00 20.67 H new ATOM 794 N LEU A 50 0.595 6.994 3.036 1.00 6.51 N ATOM 795 CA LEU A 50 1.654 7.024 2.008 1.00 7.41 C ATOM 796 C LEU A 50 1.116 7.609 0.729 1.00 8.27 C ATOM 797 O LEU A 50 -0.019 7.213 0.438 1.00 8.34 O ATOM 798 CB LEU A 50 2.220 5.635 1.656 1.00 7.13 C ATOM 799 CG LEU A 50 2.531 4.664 2.858 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.032 3.331 2.274 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.655 5.239 3.760 1.00 9.11 C ATOM 0 H LEU A 50 -0.125 6.285 2.901 1.00 6.51 H new ATOM 0 HA LEU A 50 2.453 7.627 2.439 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.511 5.138 0.994 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.140 5.778 1.089 1.00 7.13 H new ATOM 0 HG LEU A 50 1.627 4.536 3.453 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.255 2.639 3.086 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.262 2.902 1.633 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.935 3.507 1.689 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.850 4.550 4.582 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.563 5.369 3.171 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.342 6.203 4.161 1.00 9.11 H new ATOM 813 N GLU A 51 1.812 8.630 -0.038 1.00 9.43 N ATOM 814 CA GLU A 51 1.123 9.329 -1.067 1.00 11.90 C ATOM 815 C GLU A 51 1.448 8.750 -2.401 1.00 11.49 C ATOM 816 O GLU A 51 2.582 8.323 -2.606 1.00 9.88 O ATOM 817 CB GLU A 51 1.485 10.816 -1.263 1.00 16.56 C ATOM 818 CG GLU A 51 1.388 11.642 0.066 1.00 26.06 C ATOM 819 CD GLU A 51 1.242 13.141 -0.139 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.371 13.600 -0.886 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.128 13.852 0.418 1.00 32.13 O ATOM 0 H GLU A 51 2.786 8.902 0.099 1.00 9.43 H new ATOM 0 HA GLU A 51 0.088 9.237 -0.737 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.498 10.890 -1.659 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.819 11.253 -2.007 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.536 11.281 0.643 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.280 11.454 0.663 1.00 26.06 H new ATOM 828 N ASP A 52 0.506 8.797 -3.349 1.00 12.71 N ATOM 829 CA ASP A 52 0.499 8.037 -4.521 1.00 16.56 C ATOM 830 C ASP A 52 1.793 8.164 -5.302 1.00 15.83 C ATOM 831 O ASP A 52 2.356 7.169 -5.718 1.00 17.21 O ATOM 832 CB ASP A 52 -0.759 8.300 -5.378 1.00 21.05 C ATOM 833 CG ASP A 52 -2.090 8.330 -4.606 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.058 9.034 -3.577 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.089 7.744 -4.972 1.00 28.37 O ATOM 0 H ASP A 52 -0.302 9.415 -3.278 1.00 12.71 H new ATOM 0 HA ASP A 52 0.442 6.991 -4.219 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.635 9.253 -5.892 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.822 7.530 -6.147 1.00 21.05 H new ATOM 840 N GLY A 53 2.380 9.339 -5.421 1.00 15.00 N ATOM 841 CA GLY A 53 3.572 9.629 -6.228 1.00 11.77 C ATOM 842 C GLY A 53 4.862 9.515 -5.533 1.00 11.10 C ATOM 843 O GLY A 53 5.910 9.758 -6.101 1.00 11.25 O ATOM 0 H GLY A 53 2.029 10.165 -4.937 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.581 8.953 -7.083 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.482 10.641 -6.623 1.00 11.77 H new ATOM 847 N ARG A 54 4.905 9.023 -4.241 1.00 8.53 N ATOM 848 CA ARG A 54 6.172 8.648 -3.613 1.00 9.05 C ATOM 849 C ARG A 54 6.625 7.241 -4.110 1.00 8.96 C ATOM 850 O ARG A 54 5.796 6.560 -4.643 1.00 11.60 O ATOM 851 CB ARG A 54 5.944 8.581 -2.108 1.00 7.97 C ATOM 852 CG ARG A 54 5.840 9.940 -1.420 1.00 9.62 C ATOM 853 CD ARG A 54 7.152 10.574 -1.168 1.00 12.20 C ATOM 854 NE ARG A 54 6.952 11.851 -0.477 1.00 18.23 N ATOM 855 CZ ARG A 54 7.832 12.470 0.329 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.075 12.058 0.482 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.354 13.429 1.136 1.00 23.38 N ATOM 0 H ARG A 54 4.083 8.890 -3.651 1.00 8.53 H new ATOM 0 HA ARG A 54 6.940 9.379 -3.867 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.029 8.021 -1.917 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.761 8.020 -1.654 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.236 10.606 -2.037 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.315 9.820 -0.472 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.776 9.915 -0.564 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.677 10.736 -2.110 1.00 12.20 H new ATOM 0 HE ARG A 54 6.056 12.316 -0.622 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.406 11.236 -0.023 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.706 12.561 1.106 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.361 13.661 1.120 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.984 13.927 1.765 1.00 23.38 H new ATOM 871 N THR A 55 7.817 6.779 -3.706 1.00 9.05 N ATOM 872 CA THR A 55 8.396 5.520 -3.988 1.00 9.03 C ATOM 873 C THR A 55 8.608 4.738 -2.685 1.00 8.15 C ATOM 874 O THR A 55 8.784 5.292 -1.578 1.00 5.91 O ATOM 875 CB THR A 55 9.719 5.514 -4.749 1.00 11.15 C ATOM 876 OG1 THR A 55 10.843 6.216 -4.167 1.00 11.95 O ATOM 877 CG2 THR A 55 9.502 6.082 -6.164 1.00 11.71 C ATOM 0 H THR A 55 8.429 7.351 -3.124 1.00 9.05 H new ATOM 0 HA THR A 55 7.670 5.061 -4.659 1.00 9.03 H new ATOM 0 HB THR A 55 10.003 4.462 -4.727 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.628 5.630 -4.163 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.447 6.077 -6.707 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.775 5.467 -6.695 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.130 7.104 -6.093 1.00 11.71 H new ATOM 885 N LEU A 56 8.564 3.387 -2.797 1.00 6.91 N ATOM 886 CA LEU A 56 9.027 2.504 -1.733 1.00 8.29 C ATOM 887 C LEU A 56 10.450 2.815 -1.254 1.00 8.05 C ATOM 888 O LEU A 56 10.628 2.723 -0.044 1.00 10.17 O ATOM 889 CB LEU A 56 8.848 1.010 -2.091 1.00 6.60 C ATOM 890 CG LEU A 56 7.462 0.499 -2.469 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.630 -0.982 -2.894 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.372 0.613 -1.328 1.00 8.64 C ATOM 0 H LEU A 56 8.210 2.899 -3.620 1.00 6.91 H new ATOM 0 HA LEU A 56 8.378 2.711 -0.882 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.518 0.789 -2.922 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.193 0.424 -1.239 1.00 6.60 H new ATOM 0 HG LEU A 56 7.083 1.132 -3.271 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.660 -1.392 -3.175 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.309 -1.042 -3.745 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.039 -1.555 -2.062 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.421 0.225 -1.693 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.691 0.035 -0.461 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.252 1.658 -1.043 1.00 8.64 H new ATOM 904 N SER A 57 11.444 3.111 -2.121 1.00 8.92 N ATOM 905 CA SER A 57 12.776 3.588 -1.763 1.00 9.00 C ATOM 906 C SER A 57 12.826 4.845 -0.875 1.00 9.44 C ATOM 907 O SER A 57 13.412 4.798 0.209 1.00 10.91 O ATOM 908 CB SER A 57 13.683 3.823 -2.967 1.00 10.32 C ATOM 909 OG SER A 57 13.128 4.714 -3.891 1.00 13.59 O ATOM 0 H SER A 57 11.323 3.016 -3.129 1.00 8.92 H new ATOM 0 HA SER A 57 13.147 2.753 -1.169 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.642 4.211 -2.625 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.881 2.871 -3.459 1.00 10.32 H new ATOM 0 HG SER A 57 13.746 4.833 -4.642 1.00 13.59 H new ATOM 915 N ASP A 58 12.024 5.858 -1.258 1.00 9.11 N ATOM 916 CA ASP A 58 11.771 7.087 -0.534 1.00 7.91 C ATOM 917 C ASP A 58 11.263 6.880 0.912 1.00 9.12 C ATOM 918 O ASP A 58 11.667 7.551 1.865 1.00 8.61 O ATOM 919 CB ASP A 58 10.745 7.937 -1.391 1.00 8.41 C ATOM 920 CG ASP A 58 10.625 9.369 -1.006 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.408 9.725 0.169 1.00 11.70 O ATOM 922 OD2 ASP A 58 10.724 10.148 -1.969 1.00 10.05 O ATOM 0 H ASP A 58 11.511 5.822 -2.139 1.00 9.11 H new ATOM 0 HA ASP A 58 12.717 7.613 -0.409 1.00 7.91 H new ATOM 0 HB2 ASP A 58 11.041 7.884 -2.439 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.761 7.474 -1.313 1.00 8.41 H new ATOM 927 N TYR A 59 10.400 5.876 1.206 1.00 7.97 N ATOM 928 CA TYR A 59 9.875 5.621 2.557 1.00 8.45 C ATOM 929 C TYR A 59 10.705 4.596 3.314 1.00 10.98 C ATOM 930 O TYR A 59 10.458 4.359 4.489 1.00 12.95 O ATOM 931 CB TYR A 59 8.408 5.123 2.379 1.00 7.94 C ATOM 932 CG TYR A 59 7.369 6.180 2.269 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.313 7.204 3.183 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.506 6.240 1.168 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.332 8.243 3.110 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.562 7.254 1.002 1.00 6.52 C ATOM 937 CZ TYR A 59 5.462 8.294 1.992 1.00 6.76 C ATOM 938 OH TYR A 59 4.403 9.232 1.855 1.00 7.63 O ATOM 0 H TYR A 59 10.052 5.222 0.505 1.00 7.97 H new ATOM 0 HA TYR A 59 9.918 6.534 3.152 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.362 4.502 1.484 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.158 4.482 3.225 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.035 7.226 3.986 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.574 5.469 0.415 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.255 8.979 3.897 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.913 7.258 0.139 1.00 6.52 H new ATOM 0 HH TYR A 59 4.775 10.127 1.709 1.00 7.63 H new ATOM 948 N ASN A 60 11.782 4.099 2.667 1.00 12.38 N ATOM 949 CA ASN A 60 12.691 3.108 3.145 1.00 13.94 C ATOM 950 C ASN A 60 12.089 1.751 3.500 1.00 14.16 C ATOM 951 O ASN A 60 12.532 1.053 4.447 1.00 14.26 O ATOM 952 CB ASN A 60 13.601 3.578 4.315 1.00 19.23 C ATOM 953 CG ASN A 60 14.000 5.049 4.100 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.325 5.918 4.684 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.873 5.416 3.117 1.00 24.09 N ATOM 0 H ASN A 60 12.031 4.422 1.732 1.00 12.38 H new ATOM 0 HA ASN A 60 13.302 2.961 2.255 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.076 3.468 5.264 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.492 2.953 4.369 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.971 6.399 2.863 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.427 4.707 2.637 1.00 24.09 H new ATOM 962 N ILE A 61 11.145 1.296 2.635 1.00 11.08 N ATOM 963 CA ILE A 61 10.555 -0.036 2.776 1.00 11.78 C ATOM 964 C ILE A 61 11.565 -1.056 2.475 1.00 13.74 C ATOM 965 O ILE A 61 12.342 -0.888 1.576 1.00 14.60 O ATOM 966 CB ILE A 61 9.174 -0.130 2.109 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.236 0.876 2.775 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.651 -1.585 2.123 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.906 1.139 2.160 1.00 11.42 C ATOM 0 H ILE A 61 10.788 1.834 1.846 1.00 11.08 H new ATOM 0 HA ILE A 61 10.284 -0.252 3.810 1.00 11.78 H new ATOM 0 HB ILE A 61 9.238 0.136 1.054 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.065 0.540 3.798 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.764 1.828 2.837 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.672 -1.624 1.645 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.346 -2.227 1.581 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.566 -1.931 3.153 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.369 1.876 2.757 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.042 1.521 1.148 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.332 0.213 2.124 1.00 11.42 H new ATOM 981 N GLN A 62 11.661 -2.153 3.205 1.00 13.97 N ATOM 982 CA GLN A 62 12.653 -3.189 3.120 1.00 15.52 C ATOM 983 C GLN A 62 11.956 -4.517 3.081 1.00 13.94 C ATOM 984 O GLN A 62 10.703 -4.590 3.350 1.00 12.15 O ATOM 985 CB GLN A 62 13.631 -3.281 4.286 1.00 19.53 C ATOM 986 CG GLN A 62 14.265 -1.937 4.740 1.00 26.38 C ATOM 987 CD GLN A 62 15.465 -2.147 5.664 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.382 -2.975 6.602 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.647 -1.516 5.401 1.00 32.71 N ATOM 0 H GLN A 62 10.979 -2.351 3.937 1.00 13.97 H new ATOM 0 HA GLN A 62 13.227 -2.938 2.228 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.113 -3.723 5.137 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.433 -3.965 4.010 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.579 -1.371 3.863 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.513 -1.338 5.254 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.707 -0.844 4.636 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.470 -1.717 5.969 1.00 32.71 H new ATOM 998 N LYS A 63 12.601 -5.543 2.667 1.00 11.73 N ATOM 999 CA LYS A 63 12.030 -6.821 2.423 1.00 11.97 C ATOM 1000 C LYS A 63 11.183 -7.404 3.599 1.00 10.41 C ATOM 1001 O LYS A 63 11.461 -7.286 4.772 1.00 9.59 O ATOM 1002 CB LYS A 63 13.063 -7.898 1.982 1.00 13.73 C ATOM 1003 CG LYS A 63 13.949 -8.445 3.127 1.00 16.98 C ATOM 1004 CD LYS A 63 14.780 -9.721 2.668 1.00 20.19 C ATOM 1005 CE LYS A 63 15.152 -10.711 3.740 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.788 -10.081 4.891 1.00 25.97 N ATOM 0 H LYS A 63 13.603 -5.515 2.477 1.00 11.73 H new ATOM 0 HA LYS A 63 11.354 -6.607 1.595 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.528 -8.730 1.524 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.707 -7.472 1.213 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.634 -7.666 3.462 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.322 -8.706 3.980 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.203 -10.246 1.906 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.697 -9.375 2.192 1.00 20.19 H new ATOM 0 HE2 LYS A 63 14.256 -11.238 4.068 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.826 -11.458 3.321 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.039 -10.809 5.591 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.649 -9.585 4.584 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.131 -9.399 5.321 1.00 25.97 H new ATOM 1020 N GLU A 64 10.093 -8.055 3.250 1.00 10.04 N ATOM 1021 CA GLU A 64 9.105 -8.646 4.125 1.00 10.94 C ATOM 1022 C GLU A 64 8.474 -7.703 5.180 1.00 9.74 C ATOM 1023 O GLU A 64 8.143 -8.141 6.301 1.00 9.42 O ATOM 1024 CB GLU A 64 9.683 -9.924 4.817 1.00 18.31 C ATOM 1025 CG GLU A 64 10.035 -10.950 3.726 1.00 24.16 C ATOM 1026 CD GLU A 64 10.641 -12.193 4.333 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.161 -12.256 5.460 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.615 -13.162 3.530 1.00 31.72 O ATOM 0 H GLU A 64 9.857 -8.195 2.268 1.00 10.04 H new ATOM 0 HA GLU A 64 8.279 -8.902 3.462 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.569 -9.672 5.400 1.00 18.31 H new ATOM 0 HB3 GLU A 64 8.953 -10.343 5.510 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.138 -11.214 3.166 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.735 -10.508 3.017 1.00 24.16 H new ATOM 1035 N SER A 65 8.373 -6.417 4.885 1.00 6.85 N ATOM 1036 CA SER A 65 7.835 -5.358 5.697 1.00 6.90 C ATOM 1037 C SER A 65 6.358 -5.333 5.565 1.00 4.72 C ATOM 1038 O SER A 65 5.800 -5.616 4.505 1.00 3.91 O ATOM 1039 CB SER A 65 8.596 -4.046 5.436 1.00 7.28 C ATOM 1040 OG SER A 65 8.299 -3.062 6.423 1.00 10.56 O ATOM 0 H SER A 65 8.698 -6.064 3.985 1.00 6.85 H new ATOM 0 HA SER A 65 8.000 -5.530 6.761 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.668 -4.242 5.428 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.335 -3.663 4.450 1.00 7.28 H new ATOM 0 HG SER A 65 8.800 -2.242 6.229 1.00 10.56 H new ATOM 1046 N THR A 66 5.629 -5.011 6.709 1.00 4.48 N ATOM 1047 CA THR A 66 4.143 -5.088 6.703 1.00 3.80 C ATOM 1048 C THR A 66 3.609 -3.662 6.571 1.00 4.60 C ATOM 1049 O THR A 66 3.792 -2.792 7.421 1.00 5.33 O ATOM 1050 CB THR A 66 3.504 -5.612 7.952 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.090 -6.849 8.380 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.027 -5.829 7.726 1.00 3.40 C ATOM 0 H THR A 66 6.041 -4.713 7.593 1.00 4.48 H new ATOM 0 HA THR A 66 3.902 -5.774 5.891 1.00 3.80 H new ATOM 0 HB THR A 66 3.666 -4.866 8.730 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.646 -7.155 9.198 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.571 -6.210 8.640 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.558 -4.884 7.453 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.884 -6.550 6.921 1.00 3.40 H new ATOM 1060 N LEU A 67 2.826 -3.343 5.525 1.00 4.17 N ATOM 1061 CA LEU A 67 2.031 -2.207 5.341 1.00 3.85 C ATOM 1062 C LEU A 67 0.669 -2.438 5.961 1.00 3.80 C ATOM 1063 O LEU A 67 0.163 -3.561 6.069 1.00 5.54 O ATOM 1064 CB LEU A 67 1.884 -1.918 3.838 1.00 7.18 C ATOM 1065 CG LEU A 67 3.250 -1.845 3.032 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.024 -1.492 1.540 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.200 -0.747 3.648 1.00 11.66 C ATOM 0 H LEU A 67 2.757 -3.971 4.724 1.00 4.17 H new ATOM 0 HA LEU A 67 2.502 -1.350 5.823 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.258 -2.692 3.394 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.356 -0.972 3.715 1.00 7.18 H new ATOM 0 HG LEU A 67 3.704 -2.833 3.105 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.984 -1.452 1.026 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.396 -2.253 1.077 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.533 -0.522 1.466 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.131 -0.712 3.082 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.710 0.226 3.601 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.416 -0.995 4.687 1.00 11.66 H new ATOM 1079 N HIS A 68 0.024 -1.309 6.385 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.268 -1.301 7.012 1.00 4.17 C ATOM 1081 C HIS A 68 -2.307 -0.743 6.027 1.00 5.32 C ATOM 1082 O HIS A 68 -2.242 0.424 5.603 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.194 -0.490 8.335 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.198 -0.955 9.375 1.00 9.95 C ATOM 1085 ND1 HIS A 68 1.193 -0.709 9.275 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.321 -1.634 10.505 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.763 -1.187 10.378 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.874 -1.809 11.106 1.00 16.30 N ATOM 0 H HIS A 68 0.425 -0.377 6.283 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.580 -2.313 7.272 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.963 0.545 8.084 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.185 -0.494 8.790 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.259 -2.001 10.896 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.806 -1.077 10.634 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.050 -2.329 11.966 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.219 -1.584 5.538 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.323 -1.293 4.630 1.00 3.97 C ATOM 1098 C LEU A 69 -5.573 -0.879 5.502 1.00 5.07 C ATOM 1099 O LEU A 69 -6.048 -1.657 6.287 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.599 -2.484 3.600 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.806 -2.310 2.646 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.649 -1.141 1.666 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.153 -3.556 1.859 1.00 9.96 C ATOM 0 H LEU A 69 -3.200 -2.572 5.791 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.069 -0.456 3.980 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.704 -2.625 2.994 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.745 -3.401 4.171 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.627 -2.092 3.329 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.531 -1.079 1.029 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.538 -0.211 2.224 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.766 -1.301 1.048 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.008 -3.353 1.215 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.300 -3.850 1.248 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.401 -4.364 2.547 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.118 0.308 5.225 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.323 0.905 5.845 1.00 6.26 C ATOM 1117 C VAL A 70 -8.266 1.322 4.766 1.00 9.22 C ATOM 1118 O VAL A 70 -7.832 1.856 3.730 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.985 2.039 6.781 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.236 2.645 7.306 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.126 1.468 7.951 1.00 8.54 C ATOM 0 H VAL A 70 -5.711 0.923 4.520 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.808 0.154 6.468 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.424 2.812 6.255 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.988 3.464 7.982 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.831 3.027 6.477 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.808 1.890 7.845 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.870 2.272 8.641 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.695 0.703 8.480 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.212 1.029 7.551 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.546 0.925 4.810 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.407 0.901 3.642 1.00 16.06 C ATOM 1133 C LEU A 71 -11.554 1.812 3.879 1.00 18.09 C ATOM 1134 O LEU A 71 -12.144 1.901 5.000 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.963 -0.503 3.182 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.906 -1.459 2.524 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.597 -2.705 1.928 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.105 -0.768 1.381 1.00 19.57 C ATOM 0 H LEU A 71 -10.005 0.612 5.665 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.760 1.216 2.823 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.395 -1.006 4.047 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.773 -0.340 2.471 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.217 -1.739 3.321 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -9.848 -3.355 1.476 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.118 -3.245 2.719 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.314 -2.395 1.168 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.388 -1.474 0.961 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.793 -0.441 0.601 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.573 0.095 1.780 1.00 19.57 H new